Vitas-M small molecule compound
methyl [(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(4-ethylphenyl)-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STL375057
SMILES COC(=O)CN1/C(=C\c2ccc3c(c2)OCO3)/C(=O)N(C1=S)c1ccc(cc1)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H20N2O5S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5S/c1-3-14-4-7-16(8-5-14)24-21(26)17(23(22(24)30)12-20(25)27-2)10-15-6-9-18-19(11-15)29-13-28-18/h4-11H,3,12-13H2,1-2H3/b17-10-InChIKey
JVRUQOJNMFQFBR-YVLHZVERSA-NSynonyms
CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)N(C2=S)CC(=O)OC
COC(=O)CN1C(=Cc2ccc3c(c2)OCO3)C(=O)N(C1=S)c1ccc(cc1)CC
InChI=1SC22H20N2O5Sc13144716(8514)2421(26)17(23(22(24)30)1220(25)272)1015691819(1115)29132818h411H31213H212H3b1710
methyl((5Z)5(13benzodioxol5ylmethylidene)3(4ethylphenyl)4oxo2thioxoimidazolidin1yl)acetate
METHYL2((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)3(4ETHYLPHENYL)4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD03720528
ZINC000001127243
ZINC01127243
ZINC1127243
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